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MAYBRIDGE-ZINC00132390

 MMsINC code: MMs02137607
Type: Neutral
Formula: C13H8ClF4NO
SMILES:   Clc1ccc(cc1Oc1cc(F)c(N)cc1)C(F)(F)F
InChI:   InChI=1/C13H8ClF4NO/c14-9-3-1-7(13(16,17)18)5-12(9)20-8-2-4-11(19)10(15)6-8/h1-6H,19H2

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Potential Energy
Epot(MMFF94)=81.9659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.658 g/mol  logS: -4.97429  SlogP: 5.1839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117048  Sterimol/B1: 3.64857  Sterimol/B2: 3.84231  Sterimol/B3: 4.1623
  Sterimol/B4: 5.90575  Sterimol/L: 12.7471 
 
 Surface and Volume Properties
  Accessible surface: 466.777  Positive charged surface: 177.373  Negative charged surface: 289.404  Volume: 233.375
  Hydrophobic surface: 304.451  Hydrophilic surface: 162.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.